Compounds

ALA1094764

Name:
(R)-3-(5-((4-tert-butylphenoxy)methyl)-2-oxooxazol
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Mol. Formula:
C21H22N2O3

M.W.:
350.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
62.56

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1094763

Name:
3-{(5S)-5-[(4-tert-butylphenoxy)methyl]-2-oxo-1,3-
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Mol. Formula:
C21H22N2O3

M.W.:
350.42

24 activity values

9 unique targets

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
62.56

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1094762

Name:
(R)-5-hexyl-3-phenyloxazolidin-2-one

Mol. Formula:
C15H21NO2

M.W.:
247.34

11 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA1094430

Name:
N-(4-((2-oxo-3-phenyloxazolidin-5-yl)methoxy)pheny
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Mol. Formula:
C18H18N2O4

M.W.:
326.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
67.87

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA1094429

Name:
N-(3-((2-oxo-3-phenyloxazolidin-5-yl)methoxy)pheny
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Mol. Formula:
C18H18N2O4

M.W.:
326.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
67.87

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA1096052

Name:
N-(2-((2-oxo-3-phenyloxazolidin-5-yl)methoxy)pheny
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Mol. Formula:
C18H18N2O4

M.W.:
326.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
67.87

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA1097398

Name:
4-((2-oxo-3-phenyloxazolidin-5-yl)methoxy)benzamid
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Mol. Formula:
C17H16N2O4

M.W.:
312.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.19

Polar Surface Area:
81.86

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA1097397

Name:
3-((2-oxo-3-phenyloxazolidin-5-yl)methoxy)benzamid
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Mol. Formula:
C17H16N2O4

M.W.:
312.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.19

Polar Surface Area:
81.86

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA1098335

Name:
5-((4-aminophenoxy)methyl)-3-phenyloxazolidin-2-on
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Mol. Formula:
C16H16N2O3

M.W.:
284.32

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
64.79

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA1097396

Name:
5-((3-aminophenoxy)methyl)-3-phenyloxazolidin-2-on
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Mol. Formula:
C16H16N2O3

M.W.:
284.32

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
64.79

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA1097044

Name:
3-phenyl-5-((3-(trifluoromethyl)phenoxy)methyl)oxa
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Mol. Formula:
C17H14F3NO3

M.W.:
337.30

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
38.77

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA1098725

Name:
3-phenyl-5-((2-(trifluoromethyl)phenoxy)methyl)oxa
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Mol. Formula:
C17H14F3NO3

M.W.:
337.30

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
38.77

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA1098406

Name:
3-phenyl-5-((4-(trifluoromethyl)phenoxy)methyl)oxa
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Mol. Formula:
C17H14F3NO3

M.W.:
337.30

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
38.77

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA1097984

Name:
5-((3-chlorophenoxy)methyl)-3-phenyloxazolidin-2-o
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Mol. Formula:
C16H14ClNO3

M.W.:
303.75

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
38.77

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA1097656

Name:
5-((2-chlorophenoxy)methyl)-3-phenyloxazolidin-2-o
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Mol. Formula:
C16H14ClNO3

M.W.:
303.75

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
38.77

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA1094416

Name:
5-((4-methoxyphenoxy)methyl)-3-phenyloxazolidin-2-
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Mol. Formula:
C17H17NO4

M.W.:
299.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA1094415

Name:
5-((3-methoxyphenoxy)methyl)-3-phenyloxazolidin-2-
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Mol. Formula:
C17H17NO4

M.W.:
299.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA1094414

Name:
5-((2-methoxyphenoxy)methyl)-3-phenyloxazolidin-2-
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Mol. Formula:
C17H17NO4

M.W.:
299.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA1096713

Name:
5-[(4-tert-butylphenoxy)methyl]-3-phenyl-1,3-oxazo
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Mol. Formula:
C20H23NO3

M.W.:
325.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
38.77

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA1096712

Name:
5-((3-tert-butylphenoxy)methyl)-3-phenyloxazolidin
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Mol. Formula:
C20H23NO3

M.W.:
325.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
38.77

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS